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Atomfair Benzoic acid, 4-propyl-, 4-pentylphenyl ester C21H26O2 CAS 50649-60-0

Benzoic acid, 4-propyl-, 4-pentylphenyl ester (CAS No. 50649-60-0) is a high-purity organic ester compound with the molecular formula C21H26O2and IUPAC name (4-pentylphenyl) 4-propylbenzoate . This specialized chemical is synthesized under stringent quality control to ensure optimal consistency and performance for research and industrial applications. Its unique aromatic ester structure makes it valuable in advanced material science, liquid crystal formulations, and organic synthesis. Available in various quantities, this product is ideal for researchers requiring precise and reliable reagents. Each batch is thoroughly characterized by GC/MS, NMR, and HPLC to guarantee >98% purity, meeting the demands of academic, pharmaceutical, and materials science…

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Description

Benzoic acid, 4-propyl-, 4-pentylphenyl ester (CAS No. 50649-60-0) is a high-purity organic ester compound with the molecular formula C21H26O2 and IUPAC name (4-pentylphenyl) 4-propylbenzoate. This specialized chemical is synthesized under stringent quality control to ensure optimal consistency and performance for research and industrial applications. Its unique aromatic ester structure makes it valuable in advanced material science, liquid crystal formulations, and organic synthesis. Available in various quantities, this product is ideal for researchers requiring precise and reliable reagents. Each batch is thoroughly characterized by GC/MS, NMR, and HPLC to guarantee >98% purity, meeting the demands of academic, pharmaceutical, and materials science laboratories.

Properties

  • CAS Number: 50649-60-0
  • Complexity: 323
  • IUPAC Name: (4-pentylphenyl) 4-propylbenzoate
  • InChI: InChI=1S/C21H26O2/c1-3-5-6-8-18-11-15-20(16-12-18)23-21(22)19-13-9-17(7-4-2)10-14-19/h9-16H,3-8H2,1-2H3
  • InChI Key: WNBFPAKRCJNBBS-UHFFFAOYSA-N
  • Exact Mass: 310.193280068
  • Molecular Formula: C21H26O2
  • Molecular Weight: 310.4
  • SMILES: CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCC
  • Topological: 26.3
  • Monoisotopic Mass: 310.193280068
  • Synonyms: 50649-60-0, Benzoic acid, 4-propyl-, 4-pentylphenyl ester, EINECS 256-684-8, DTXSID5068570, DTXCID5040883, 4-Pentylphenyl 4-propylbenzoate, (4-pentylphenyl) 4-propylbenzoate, 4-Pentylphenyl-4′-propylbenzoate, C21H26O2, 3Bzo5P, HSH7XXL3AP, p-Pentylphenyl p-propylbenzoate, SCHEMBL3612308, p-pentyl phenyl-p-propylbenzoate, WNBFPAKRCJNBBS-UHFFFAOYSA-N, 4-n-Pentylphenyl 4-n-propylbenzoate, AKOS015917723, 4-Pentylphenyl 4-propylbenzoate, 97%, CS-W012063, DS-12624, DB-009043, NS00032113

Application

This compound is primarily used in the development of liquid crystal displays (LCDs) due to its mesogenic properties. It serves as an intermediate in organic synthesis for creating advanced aromatic esters with tailored functionalities. Researchers also utilize it in material science studies to investigate phase behavior and thermal stability in polymer matrices.

Safety and Hazards

GHS Hazard Statements

  • H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
  • H413 (97.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

  • P264+P265, P273, P280, P305+P354+P338, P317, and P501

Hazard Classes and Categories

  • Eye Dam. 1 (97.5%)
  • Aquatic Chronic 4 (97.5%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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